Sterenin H

Details

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Internal ID 234f7a65-676c-40c1-9824-313a9140f0a6
Taxonomy Phenylpropanoids and polyketides > Depsides and depsidones
IUPAC Name [3-hydroxy-5-(hydroxymethyl)-4-(methoxymethyl)-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H26O7/c1-12(2)5-6-16-19(8-14(10-23)17(11-28-4)21(16)26)29-22(27)20-13(3)7-15(24)9-18(20)25/h5,7-9,23-26H,6,10-11H2,1-4H3
InChI Key QBAPFNYOABZILN-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C22H26O7
Molecular Weight 402.40 g/mol
Exact Mass 402.16785316 g/mol
Topological Polar Surface Area (TPSA) 116.00 Ų
XlogP 3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Sterenin H

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.84% 91.11%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 94.32% 95.17%
CHEMBL3401 O75469 Pregnane X receptor 93.30% 94.73%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 91.25% 96.95%
CHEMBL2581 P07339 Cathepsin D 91.17% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.66% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.80% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.53% 99.17%
CHEMBL3194 P02766 Transthyretin 89.27% 90.71%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 88.84% 91.71%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.38% 95.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.94% 96.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.43% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.17% 86.33%
CHEMBL4208 P20618 Proteasome component C5 86.70% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.49% 89.00%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 85.19% 93.10%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.71% 95.56%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 77461066
LOTUS LTS0096433
wikiData Q77492593